(Z)-3-octen-1-ol
 
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IUPAC name :(Z)-oct-3-en-1-ol
InChI :InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h5-6,9H,2-4,7-8H2,1H3/b6-5-
InChIKey :YDXQPTHHAPCTPP-WAYWQWQTBF
SMILES :CCCC\C=C/CCO
(EINECS) number :243-533-6
cas number :20125-84-2
fema number :3467
coe number :10296
jecfa number :321
fl. number :02.094
molar refractivity :40.70 ± 0.3 cm3
parachor :354.3 ± 4.0 cm3
index of refraction :1.449 ± 0.02
surface tension :29.7 ± 3.0 dyne/cm
density :0.845 ± 0.06 g/cm3
polarizability :16.13 ± 0.5 10-24cm3
xlogp : 2.60
molecular weight : 128.2120400
formula :C8 H16 O
 
 
export tariff code :2905.29.9000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :cis-3-OCTEN-1-OL
≥95.0%, Kosher

organoleptics :
odor type :fruity
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
powerful fresh fatty fruity melon

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.83000 to 0.85000 @ 25.00 °C.
pounds per gallon - calc. : 6.906 to 7.073
refractive index :1.44000 to 1.44600 @ 20.00 °C.
boiling point : 73.00 °C. @ 0.50 mm Hg
boiling point : 174.00 °C. @ 760.00 mm Hg
logp : 2.68

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :4.70 (μg/capita/day)
flash point ( Deg. F. ) : 190.00  °F.  TCC  ( 87.78 °C. )
recommendation for (Z)-3-octen-1-ol usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for (Z)-3-octen-1-ol usage levels up to :
  10.0000 ppm in the flavor.

safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
 
 
 (Z)-oct-3-en-1-ol
(EINECS) number :243-533-6
chemidplus :20125-84-2
EPA Substance Registry Services :20125-84-2
NLM Chemical Carcinogenesis Research Information System :20125-84-2
NLM Developmental and Reproductive Toxicity :20125-84-2
NLM Env. Mutagen Info. Center :20125-84-2
NLM GENetic TOXicology :20125-84-2

references :
 (Z)-oct-3-en-1-ol
jecfa number :321
fl. number :02.094
pubchem :10512689
NIST Chemistry WebBook :2951169050

other :
synonyms :
 oct-3-en-1-ol
(Z)-3-octen-1-ol
cis-3-octen-1-ol
(Z)-3-octenol
cis-3-octenol

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 butyl isobutyrate
 cinnamyl isovalerate
 costus root absolute
 costus root oil
 costus root resinoid
(E,E)-2,4-decadien-1-al
2,4-decadien-1-ol
 diethyl sebacate
2,4-dimethyl-3-cyclohexene-1-methanyl acetate
(E,Z)-2,6-dodecadien-1-al
 green heptenal
(Z)-3-hepten-1-ol
3-hexen-1-al
(Z)-3-hexen-1-yl (Z)-3-hexenoate
(Z)-3-hexen-1-yl acetate
(Z)-3-hexen-1-yl lactate
(Z)-3-hexen-1-yl phenyl acetate
(Z)-3-hexen-1-yl pyruvate
 hexyl 2-methyl-3-pentenoate
2'-hydroxyacetophenone
 melon acetal
 melon carboxaldehyde
 melon heptenal
 melon nonenoate
 melon valerate
 methoxycitronellal
 methoxymelonal
 methyl (E)-3-nonenoate
 methyl (E)-3-nonenoate
 methyl octine carbonate
para-methyl phenoxyacetaldehyde
1-methyl thio-2-propanone
 muguet carbaldehyde
(E,E)-2,6-nonadien-1-al
(E,Z)-3,6-nonadien-1-ol
(Z,Z)-3,6-nonadien-1-ol
2,4-nonadien-1-ol
(E,Z)-3,6-nonadien-1-yl acetate
3,6-nonadien-1-yl acetate
(Z)-6-nonen-1-al
(E)-2-nonen-1-ol
(Z)-2-nonen-1-ol
(Z)-3-nonen-1-ol
(Z)-6-nonen-1-ol
(Z)-6-nonen-1-yl acetate
(E,E)-2,4-octadien-1-al
3-octanol
(Z)-5-octen-1-ol
(Z)-3-octen-1-yl propionate
(Z)-5-octen-1-yl propionate
3-octen-2-ol
 propyl 2,4-decadienoate
 propyl isobutyrate
 propyl nonanoate
 tropical indene
 watermelon ketone

(odor and/or flavor) used in :
 cucumber
 earth humus
 fat
 fruit
 green
 melon watermelon muskmelon cantaloupe

natural occurrence in :
found in nature



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Html Last modified 11/29/2008